MMsINC Database Search


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MMsINC code: MMs02310463

Type: Neutral
Formula: C₁₈H₂₆N₂O₂

SMILES:

O=C(CN1CCC(CC1)C(=O)N(CC)CC)c1ccccc1

InChI:

InChI=1/C18H26N2O2/c1-3-20(4-2)18(22)16-10-12-19(13-11-16)14-17(21)15-8-6-5-7-9-15/h5-9,16H,3-4,10-14H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.229 kcal/mol

Physical Properties
Molecular Weight: 302.418 g/mol	logS: -2.61754	SlogP: 2.4497	Reactive groups: 0

Topological Properties
Globularity: 0.0425771	Sterimol/B1: 3.20917	Sterimol/B2: 3.25437	Sterimol/B3: 3.84225
Sterimol/B4: 5.14335	Sterimol/L: 18.7843

Surface and Volume Properties
Accessible surface: 571.155	Positive charged surface: 401.912	Negative charged surface: 169.244	Volume: 318
Hydrophobic surface: 481.025	Hydrophilic surface: 90.13

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules

MMs02310464
NCID-ZINC01675087